%chk=000045263.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045263

0 1
 O    2.058100      2.1000000E-02 -7.9999998E-04
 N   -3.194300      -1.986100      0.1155000    
 N   -1.726700       2.007600       1.470400    
 C    1.820300      0.4385000      -1.338900    
 C   0.4063000      0.9958000      -1.456600    
 C    3.368200     -0.5069000      0.1555000    
 C  -0.6303000     -4.8400000E-02  -1.126800    
 C    3.559800     -0.9322000       1.595600    
 C   -1.555400     -8.9999998E-04 -0.1502000    
 C   -2.458700      -1.096500     -4.8000002E-03
 C   -1.647400       1.108200      0.7411000    
 H    2.540300       1.218800      -1.612200    
 H    1.952700     -0.4108000      -2.020500    
 H   0.2370000       1.343000      -2.482200    
 H   0.3133000       1.868700     -0.8021000    
 H    3.500800      -1.371300     -0.5047000    
 H    4.109300      0.2570000     -0.1052000    
 H  -0.6100000     -0.9207000      -1.781100    
 H    4.560600      -1.344800       1.751800    
 H    3.418800     -8.1699997E-02   2.270800    
 H    2.818300      -1.687500       1.876400    


%chk=000045263-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000045263

0 1
O 2.149205 -0.034690 -0.002558
N -3.307378 -2.000340 0.250459
N -2.360523 2.356865 0.901687
C 1.852397 0.496878 -1.331738
C 0.405372 1.008033 -1.283834
C 3.522708 -0.557387 0.113280
C -0.561938 -0.094629 -0.948294
C 3.699312 -1.068033 1.541994
C -1.697528 0.044571 -0.184367
C -2.578296 -1.072775 0.056947
C -2.063753 1.306259 0.413735
H 2.545413 1.326949 -1.591406
H 1.963775 -0.299729 -2.103834
H 0.148043 1.420502 -2.283509
H 0.319255 1.839266 -0.561768
H 3.674251 -1.374430 -0.627082
H 4.248804 0.254252 -0.115361
H -0.349147 -1.089497 -1.363034
H 4.717652 -1.473491 1.682509
H 3.543163 -0.250684 2.266620
H 2.970215 -1.867091 1.760555


